data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -5.41 _LACS_plot.Line_1_terminator_val_y_1 -5.40 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -1.90 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -4.29 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 2.60 _LACS_plot.Y_axis_chem_shift_offset 2.86 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 287 MET -4.91 -3.57 0 18 LYS 6.97 1.27 1 19 ALA 2.69 -0.12 1 20 ALA 3.43 0.01 1 21 VAL 6.77 1.80 1 22 LEU 3.57 -0.21 1 23 LEU 5.47 -0.01 1 24 VAL 5.97 1.07 1 25 ALA 4.36 -1.03 1 26 LEU 1.26 -1.49 1 29 GLU 4.48 0.38 1 30 LYS 3.83 0.31 1 31 ALA 3.98 0.22 1 32 ALA 4.35 -0.20 1 33 GLN 3.76 -0.38 1 34 VAL 6.15 1.63 1 35 MET 4.22 1.21 1 36 LYS 3.45 -1.07 1 37 HIS 0.34 -1.41 1 38 LEU -4.08 -5.16 1 39 ASP -1.46 -3.81 1 40 GLU 4.30 0.74 1 41 GLU 4.07 0.15 1 42 THR 7.31 1.85 1 43 VAL 7.47 2.92 1 44 GLU 3.98 0.08 1 45 GLN 2.92 -0.27 1 46 LEU 3.57 0.03 1 47 VAL 6.60 1.82 1 48 VAL 5.49 1.03 1 49 GLU 3.41 -0.64 1 50 ILE 5.10 1.76 1 51 ALA 3.43 -0.87 1 52 ASN -0.84 -3.20 1 53 ILE 2.12 -1.00 1 55 ARG 1.03 -2.85 1 56 VAL -0.88 -4.04 1 57 THR 1.61 -2.39 1 59 GLU 5.31 0.85 1 60 GLU 3.62 -0.25 1 61 LYS 5.14 1.56 1 62 LYS 5.19 1.33 1 63 GLN 4.77 0.56 1 64 VAL 6.48 2.09 1 65 LEU 4.49 0.58 1 66 GLU 4.41 0.80 1 67 GLU 4.54 0.66 1 68 PHE 5.22 1.77 1 69 LEU 4.28 -0.21 1 71 LEU 3.70 -0.16 1 72 ALA 4.58 -0.43 1 73 LYS 4.49 -0.71 1 74 ALA 3.64 -0.11 1 75 LYS 5.47 0.79 1 76 GLU 3.43 -0.26 1 77 MET 3.21 0.74 1 78 ILE 6.01 1.67 1 79 SER 3.90 0.42 1 80 GLU 0.86 -2.32 1 83 ILE 5.23 0.96 1 84 GLU 4.70 0.11 1 85 TYR 3.19 -0.62 1 86 ALA 2.41 -0.65 1 87 LYS 5.63 1.55 1 88 LYS 4.53 0.07 1 89 VAL 5.38 1.00 1 90 LEU 2.77 -0.59 1 91 GLU 4.21 0.06 1 92 LYS 4.02 -0.43 1 93 ALA 2.32 -1.28 1 94 PHE -2.74 -3.69 1 97 GLU 4.30 0.31 1 98 ARG 4.79 -0.02 1 99 ALA 3.42 0.44 1 100 ARG 5.36 0.66 1 101 LYS 4.11 -0.36 1 102 ILE 5.82 1.51 1 103 ILE 5.84 0.16 1 104 GLU 3.91 0.17 1 120 ASP 0.53 -2.42 1 121 THR 0.51 -2.62 1 122 ASP -1.27 -3.23 1 124 VAL 5.82 0.83 1 125 GLN 4.02 -0.34 1 126 LEU 3.89 -0.19 1 127 VAL 7.16 2.36 1 128 ASN 3.70 0.19 1 130 LEU 2.48 -1.43 1 131 GLN 4.96 0.00 1 133 GLU -2.80 -5.11 1 134 HIS -1.43 -2.00 1 136 GLN 4.38 0.67 1 137 THR 6.18 1.63 1 138 ILE 6.49 1.92 1 139 ALA 2.97 -0.34 1 140 VAL 6.60 2.25 1 141 VAL 7.71 2.49 1 142 LEU 5.09 -0.04 1 143 SER 4.23 1.02 1 144 TYR 0.91 -1.19 1 145 LEU -2.57 -4.66 1 146 ASP 1.47 -1.84 1 149 VAL 4.61 0.06 1 150 ALA 3.26 -0.15 1 151 ALA 2.65 -0.43 1 152 GLN 4.56 0.15 1 153 ILE 5.31 0.05 1 154 LEU 4.06 0.41 1 156 ALA -1.69 -3.92 1 157 LEU 1.71 -2.80 1 159 GLU 3.97 0.57 1 160 GLU 4.07 -0.58 1 161 LEU -1.24 -2.71 1 162 GLN 6.30 2.32 1 164 GLU 3.29 -0.68 1 165 VAL 6.76 1.78 1 166 LEU 4.25 -0.78 1 167 LYS 5.72 0.96 1 168 ARG 4.43 -0.39 1 169 ILE 6.05 2.22 1 170 ALA 3.01 -0.90 1 171 LEU 0.95 -2.82 1 172 LEU 4.14 0.30 1 173 GLU 1.71 -1.51 1 174 ARG 0.09 -3.74 1 180 VAL 6.48 2.02 1 181 LYS 4.30 -0.37 1 182 GLU 3.73 -0.36 1 183 ILE 5.01 1.20 1 184 GLU 4.47 0.99 1 185 ARG 4.60 0.34 1 186 ASN 3.16 -0.06 1 187 LEU 3.55 -0.44 1 188 GLU 3.12 -0.51 1 191 ILE -0.86 -4.40 1 201 LYS 0.37 -2.98 1 202 VAL -1.30 -4.01 1 205 ILE 5.86 0.58 1 206 ASP 5.46 0.97 1 207 THR 6.30 2.07 1 208 ALA 4.57 -0.02 1 209 ALA 3.20 -0.28 1 210 GLU 3.69 -0.34 1 211 ILE 7.28 2.68 1 212 MET 3.62 0.11 1 213 ASN 1.59 -1.47 1 214 ASN -1.96 -1.66 1 215 LEU -2.40 -3.61 1 216 ASP -0.32 -2.97 1 217 ARG 4.34 0.07 1 218 THR 6.52 1.88 1 219 THR 7.03 2.04 1 220 GLU 5.95 1.12 1 221 LYS 4.38 0.11 1 222 LYS 4.63 0.52 1 223 ILE 4.21 0.63 1 224 MET 4.67 -0.89 1 225 ASP 4.21 0.18 1 226 LYS 3.90 -0.32 1 227 LEU 3.83 0.02 1 228 VAL 5.84 1.08 1 229 GLN 2.95 -0.70 1 230 GLU -0.06 -1.61 1 231 ASN -0.06 -2.68 1 233 GLU 4.76 0.34 1 234 LEU 2.38 -1.12 1 235 ALA 3.72 0.06 1 236 ASP 3.12 0.29 1 237 GLU 3.53 -0.07 1 238 ILE 5.43 1.67 1 239 ARG 4.96 0.51 1 240 ARG 3.92 0.02 1 241 ARG 0.55 -4.02 1 242 MET 0.66 -0.59 1 243 PHE -0.04 -2.09 1 244 VAL -3.47 -6.01 1 245 PHE 6.68 3.20 1 246 GLU 3.95 -0.94 1 247 ASP 4.63 -0.31 1 248 ILE 6.31 1.43 1 249 LEU 2.59 -0.67 1 250 LYS 1.18 -2.49 1 251 LEU 0.19 -3.26 1 252 ASP -1.74 -4.39 1 253 ASP 4.65 1.44 1 254 ARG 5.70 0.53 1 256 ILE 6.44 0.64 1 257 GLN 6.60 1.35 1 258 LEU 4.15 0.18 1 259 VAL 5.48 1.05 1 260 LEU 3.59 -1.07 1 261 ARG 3.16 -0.55 1 262 GLU -2.27 -3.72 1 263 VAL -1.78 -4.28 1 264 ASP -1.74 -3.17 1 265 THR 6.47 2.20 1 266 ARG 5.54 0.58 1 267 ASP 3.51 0.06 1 268 LEU 3.46 -0.50 1 269 ALA 4.11 -0.02 1 270 LEU 2.72 -0.11 1 271 ALA 2.21 -0.91 1 275 ALA -5.41 -4.79 1 276 SER -0.55 -2.91 1 277 ASP 5.02 0.84 1 278 GLU 4.82 0.48 1 279 LEU 5.28 0.15 1 280 LYS 6.58 2.02 1 281 GLU 3.76 -0.16 1 282 LYS 3.17 -0.69 1 283 ILE 5.82 -0.65 1 284 PHE 3.88 -0.80 1 285 LYS 3.85 -0.94 1 286 ASN -1.11 -1.56 1 288 SER -0.84 -3.29 1 290 ARG 4.21 -0.17 1 291 ALA 3.26 -0.43 1 292 ALA 3.69 -0.38 1 293 ALA 4.06 -0.37 1 294 LEU 3.68 -0.36 1 295 LEU 3.97 -0.38 1 296 LYS 5.91 1.47 1 297 ASP 4.15 0.30 1 298 GLU 3.59 -0.36 1 299 LEU 3.52 0.10 1 300 GLU 2.73 -1.05 1 301 TYR 1.22 -2.70 1 302 MET 2.09 -0.40 1 305 VAL -4.14 -5.44 1 306 ARG -0.06 -3.67 1 308 LYS 4.00 -0.24 1 309 ASP 3.76 0.03 1 310 VAL 5.05 1.08 1 311 GLU 3.91 0.16 1 312 GLU 3.77 -0.02 1 313 ALA 3.57 0.14 1 314 GLN 6.16 0.77 1 315 GLN 4.72 -0.20 1 316 LYS 5.02 0.95 1 317 ILE 6.06 1.56 1 318 ILE 6.28 1.77 1 319 ASN 4.52 0.39 1 320 ILE 5.74 1.59 1 321 ILE 7.06 2.18 1 322 ARG 4.89 0.08 1 323 ARG 5.18 0.46 1 324 LEU 3.68 -0.23 1 325 GLU 3.64 -0.36 1 326 GLU 3.77 -0.24 1 327 ALA -0.13 -3.07 1 329 GLU 0.21 -1.86 1 330 ILE -4.27 -4.86 1 331 VAL -1.41 -3.75 1 332 ILE 0.52 -3.26 1 333 ALA 0.34 -3.21 1 334 ARG 0.04 -3.06 1 338 GLU 0.25 -2.83 1 339 GLU 0.09 -3.02 1 340 LEU 0.48 -3.06 1 341 ILE 0.78 -3.03 1 342 MET 0.72 -1.36 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr25247_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -5.41 _LACS_plot.Line_1_terminator_val_y_1 0.01 _LACS_plot.Line_1_terminator_val_x_2 1.99 _LACS_plot.Line_1_terminator_val_y_2 -3.89 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -2.29 _LACS_plot.Line_2_terminator_val_x_2 7.70 _LACS_plot.Line_2_terminator_val_y_2 -5.10 _LACS_plot.Y_axis_chem_shift_offset 2.86 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 287 MET -4.91 1.34 0 18 LYS 6.97 -5.70 1 19 ALA 2.69 -2.81 1 20 ALA 3.43 -3.42 1 21 VAL 6.77 -4.97 1 22 LEU 3.57 -3.78 1 23 LEU 5.47 -5.48 1 24 VAL 5.97 -4.90 1 25 ALA 4.36 -5.39 1 26 LEU 1.26 -2.75 1 29 GLU 4.48 -4.10 1 30 LYS 3.83 -3.52 1 31 ALA 3.98 -3.76 1 32 ALA 4.35 -4.55 1 33 GLN 3.76 -4.14 1 34 VAL 6.15 -4.52 1 35 MET 4.22 -3.01 1 36 LYS 3.45 -4.52 1 37 HIS 0.34 -1.75 1 38 LEU -4.08 -1.08 1 39 ASP -1.46 -2.35 1 40 GLU 4.30 -3.56 1 41 GLU 4.07 -3.92 1 42 THR 7.31 -5.46 1 43 VAL 7.47 -4.55 1 44 GLU 3.98 -3.90 1 45 GLN 2.92 -3.19 1 46 LEU 3.57 -3.54 1 47 VAL 6.60 -4.78 1 48 VAL 5.49 -4.46 1 49 GLU 3.41 -4.05 1 50 ILE 5.10 -3.34 1 51 ALA 3.43 -4.30 1 52 ASN -0.84 -2.36 1 53 ILE 2.12 -3.12 1 55 ARG 1.03 -3.88 1 56 VAL -0.88 -3.16 1 57 THR 1.61 -4.00 1 59 GLU 5.31 -4.46 1 60 GLU 3.62 -3.87 1 61 LYS 5.14 -3.58 1 62 LYS 5.19 -3.86 1 63 GLN 4.77 -4.21 1 64 VAL 6.48 -4.39 1 65 LEU 4.49 -3.91 1 66 GLU 4.41 -3.61 1 67 GLU 4.54 -3.88 1 68 PHE 5.22 -3.45 1 69 LEU 4.28 -4.49 1 71 LEU 3.70 -3.86 1 72 ALA 4.58 -5.01 1 73 LYS 4.49 -5.20 1 74 ALA 3.64 -3.75 1 75 LYS 5.47 -4.68 1 76 GLU 3.43 -3.69 1 77 MET 3.21 -2.47 1 78 ILE 6.01 -4.34 1 79 SER 3.90 -3.48 1 80 GLU 0.86 -3.18 1 83 ILE 5.23 -4.27 1 84 GLU 4.70 -4.59 1 85 TYR 3.19 -3.81 1 86 ALA 2.41 -3.06 1 87 LYS 5.63 -4.08 1 88 LYS 4.53 -4.46 1 89 VAL 5.38 -4.38 1 90 LEU 2.77 -3.36 1 91 GLU 4.21 -4.15 1 92 LYS 4.02 -4.45 1 93 ALA 2.32 -3.60 1 94 PHE -2.74 -0.95 1 97 GLU 4.30 -3.99 1 98 ARG 4.79 -4.81 1 99 ALA 3.42 -2.98 1 100 ARG 5.36 -4.70 1 101 LYS 4.11 -4.47 1 102 ILE 5.82 -4.31 1 103 ILE 5.84 -5.68 1 104 GLU 3.91 -3.74 1 120 ASP 0.53 -2.95 1 121 THR 0.51 -3.13 1 122 ASP -1.27 -1.96 1 124 VAL 5.82 -4.99 1 125 GLN 4.02 -4.36 1 126 LEU 3.89 -4.08 1 127 VAL 7.16 -4.80 1 128 ASN 3.70 -3.51 1 130 LEU 2.48 -3.91 1 131 GLN 4.96 -4.96 1 133 GLU -2.80 -2.31 1 134 HIS -1.43 -0.57 1 136 GLN 4.38 -3.71 1 137 THR 6.18 -4.55 1 138 ILE 6.49 -4.57 1 139 ALA 2.97 -3.31 1 140 VAL 6.60 -4.35 1 141 VAL 7.71 -5.22 1 142 LEU 5.09 -5.13 1 143 SER 4.23 -3.21 1 144 TYR 0.91 -2.10 1 145 LEU -2.57 -2.09 1 146 ASP 1.47 -3.31 1 149 VAL 4.61 -4.55 1 150 ALA 3.26 -3.41 1 151 ALA 2.65 -3.08 1 152 GLN 4.56 -4.41 1 153 ILE 5.31 -5.26 1 154 LEU 4.06 -3.65 1 156 ALA -1.69 -2.23 1 157 LEU 1.71 -4.51 1 159 GLU 3.97 -3.40 1 160 GLU 4.07 -4.65 1 161 LEU -1.24 -1.47 1 162 GLN 6.30 -3.98 1 164 GLU 3.29 -3.97 1 165 VAL 6.76 -4.98 1 166 LEU 4.25 -5.03 1 167 LYS 5.72 -4.76 1 168 ARG 4.43 -4.82 1 169 ILE 6.05 -3.83 1 170 ALA 3.01 -3.91 1 171 LEU 0.95 -3.77 1 172 LEU 4.14 -3.84 1 173 GLU 1.71 -3.22 1 174 ARG 0.09 -3.83 1 180 VAL 6.48 -4.46 1 181 LYS 4.30 -4.67 1 182 GLU 3.73 -4.09 1 183 ILE 5.01 -3.81 1 184 GLU 4.47 -3.48 1 185 ARG 4.60 -4.26 1 186 ASN 3.16 -3.22 1 187 LEU 3.55 -3.99 1 188 GLU 3.12 -3.63 1 191 ILE -0.86 -3.54 1 201 LYS 0.37 -3.35 1 202 VAL -1.30 -2.71 1 205 ILE 5.86 -5.28 1 206 ASP 5.46 -4.49 1 207 THR 6.30 -4.23 1 208 ALA 4.57 -4.59 1 209 ALA 3.20 -3.48 1 210 GLU 3.69 -4.03 1 211 ILE 7.28 -4.60 1 212 MET 3.62 -3.51 1 213 ASN 1.59 -3.06 1 214 ASN -1.96 0.30 1 215 LEU -2.40 -1.21 1 216 ASP -0.32 -2.65 1 217 ARG 4.34 -4.27 1 218 THR 6.52 -4.64 1 219 THR 7.03 -4.99 1 220 GLU 5.95 -4.83 1 221 LYS 4.38 -4.27 1 222 LYS 4.63 -4.11 1 223 ILE 4.21 -3.58 1 224 MET 4.67 -5.56 1 225 ASP 4.21 -4.03 1 226 LYS 3.90 -4.22 1 227 LEU 3.83 -3.81 1 228 VAL 5.84 -4.76 1 229 GLN 2.95 -3.65 1 230 GLU -0.06 -1.55 1 231 ASN -0.06 -2.62 1 233 GLU 4.76 -4.42 1 234 LEU 2.38 -3.50 1 235 ALA 3.72 -3.66 1 236 ASP 3.12 -2.83 1 237 GLU 3.53 -3.60 1 238 ILE 5.43 -3.76 1 239 ARG 4.96 -4.45 1 240 ARG 3.92 -3.90 1 241 ARG 0.55 -4.57 1 242 MET 0.66 -1.25 1 243 PHE -0.04 -2.05 1 244 VAL -3.47 -2.54 1 245 PHE 6.68 -3.48 1 246 GLU 3.95 -4.89 1 247 ASP 4.63 -4.94 1 248 ILE 6.31 -4.88 1 249 LEU 2.59 -3.26 1 250 LYS 1.18 -3.67 1 251 LEU 0.19 -3.45 1 252 ASP -1.74 -2.65 1 253 ASP 4.65 -3.21 1 254 ARG 5.70 -5.17 1 256 ILE 6.44 -5.80 1 257 GLN 6.60 -5.25 1 258 LEU 4.15 -3.97 1 259 VAL 5.48 -4.43 1 260 LEU 3.59 -4.66 1 261 ARG 3.16 -3.71 1 262 GLU -2.27 -1.45 1 263 VAL -1.78 -2.50 1 264 ASP -1.74 -1.43 1 265 THR 6.47 -4.27 1 266 ARG 5.54 -4.96 1 267 ASP 3.51 -3.45 1 268 LEU 3.46 -3.96 1 269 ALA 4.11 -4.13 1 270 LEU 2.72 -2.83 1 271 ALA 2.21 -3.12 1 275 ALA -5.41 0.62 1 276 SER -0.55 -2.36 1 277 ASP 5.02 -4.18 1 278 GLU 4.82 -4.34 1 279 LEU 5.28 -5.13 1 280 LYS 6.58 -4.56 1 281 GLU 3.76 -3.92 1 282 LYS 3.17 -3.86 1 283 ILE 5.82 -6.47 1 284 PHE 3.88 -4.68 1 285 LYS 3.85 -4.79 1 286 ASN -1.11 -0.45 1 288 SER -0.84 -2.45 1 290 ARG 4.21 -4.38 1 291 ALA 3.26 -3.69 1 292 ALA 3.69 -4.07 1 293 ALA 4.06 -4.43 1 294 LEU 3.68 -4.04 1 295 LEU 3.97 -4.35 1 296 LYS 5.91 -4.44 1 297 ASP 4.15 -3.85 1 298 GLU 3.59 -3.95 1 299 LEU 3.52 -3.42 1 300 GLU 2.73 -3.78 1 301 TYR 1.22 -3.92 1 302 MET 2.09 -2.49 1 305 VAL -4.14 -1.30 1 306 ARG -0.06 -3.61 1 308 LYS 4.00 -4.24 1 309 ASP 3.76 -3.73 1 310 VAL 5.05 -3.97 1 311 GLU 3.91 -3.75 1 312 GLU 3.77 -3.79 1 313 ALA 3.57 -3.43 1 314 GLN 6.16 -5.39 1 315 GLN 4.72 -4.92 1 316 LYS 5.02 -4.07 1 317 ILE 6.06 -4.50 1 318 ILE 6.28 -4.51 1 319 ASN 4.52 -4.13 1 320 ILE 5.74 -4.15 1 321 ILE 7.06 -4.88 1 322 ARG 4.89 -4.81 1 323 ARG 5.18 -4.72 1 324 LEU 3.68 -3.91 1 325 GLU 3.64 -4.00 1 326 GLU 3.77 -4.01 1 327 ALA -0.13 -2.94 1 329 GLU 0.21 -2.07 1 330 ILE -4.27 -0.59 1 331 VAL -1.41 -2.34 1 332 ILE 0.52 -3.78 1 333 ALA 0.34 -3.55 1 334 ARG 0.04 -3.10 1 338 GLU 0.25 -3.08 1 339 GLU 0.09 -3.11 1 340 LEU 0.48 -3.54 1 341 ILE 0.78 -3.81 1 342 MET 0.72 -2.08 1 stop_ save_